Molecule

ID:43469

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₅S
Molecular Mass
271.28962
Exact Mass
271.05144352
Charge
0
InChI
InChI=1S/C11H13NO5S/c1-16-11(13)8-3-4-10-9(7-8)12(5-6-17-10)18(2,14)15/h3-4,7H,5-6H2,1-2H3
InChIKey
GMVLBQGSTSUBLI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)N(CCO2)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1c2cc(C(=O)OC)ccc2OCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.24434182
LogD (pH = 7.4)
0.24434182
Log P
0.24434182
Molar Refractivity
64.1574
Polarizability
25.643417
Polar Surface Area
72.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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